USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 521 GLN :FLIP amide:sc= 0 F(o=-3,f=-2.4) USER MOD Set 1.2: A 551 GLN :FLIP amide:sc= -2.38! C(o=-3.1!,f=-2.4!) USER MOD Single : A 508 GLN : amide:sc=-0.00683 X(o=-0.0068,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.1!) USER MOD Single : A 514 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 HIS : no HE2:sc= -1.05 K(o=-1,f=-2.6!) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -148:sc= -0.051! USER MOD Single : A 520 THR OG1 : rot 34:sc= 1.17 USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 549 HIS :FLIP no HD1:sc= -4.94! C(o=-5.8!,f=-4.9!) USER MOD Single : A 550 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 560 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -19.522 5.551 -3.139 1.00 0.00 N ATOM 2 CA ALA A 507 -18.185 5.068 -3.570 1.00 0.00 C ATOM 3 C ALA A 507 -18.069 3.558 -3.411 1.00 0.00 C ATOM 4 O ALA A 507 -18.844 2.938 -2.683 1.00 0.00 O ATOM 5 CB ALA A 507 -17.090 5.762 -2.775 1.00 0.00 C ATOM 0 HA ALA A 507 -18.065 5.310 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -16.116 5.398 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -17.148 6.838 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -17.220 5.548 -1.714 1.00 0.00 H new ATOM 13 N GLN A 508 -17.090 2.973 -4.090 1.00 0.00 N ATOM 14 CA GLN A 508 -16.865 1.535 -4.020 1.00 0.00 C ATOM 15 C GLN A 508 -15.407 1.233 -3.683 1.00 0.00 C ATOM 16 O GLN A 508 -14.584 1.028 -4.575 1.00 0.00 O ATOM 17 CB GLN A 508 -17.245 0.870 -5.343 1.00 0.00 C ATOM 18 CG GLN A 508 -17.754 -0.554 -5.183 1.00 0.00 C ATOM 19 CD GLN A 508 -17.464 -1.416 -6.396 1.00 0.00 C ATOM 20 OE1 GLN A 508 -16.918 -2.513 -6.276 1.00 0.00 O ATOM 21 NE2 GLN A 508 -17.829 -0.923 -7.574 1.00 0.00 N ATOM 0 H GLN A 508 -16.439 3.473 -4.696 1.00 0.00 H new ATOM 0 HA GLN A 508 -17.496 1.130 -3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -18.012 1.469 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -16.376 0.865 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -17.293 -1.004 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -18.829 -0.534 -5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -18.279 -0.009 -7.627 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -17.659 -1.458 -8.426 1.00 0.00 H new ATOM 30 N PRO A 509 -15.068 1.202 -2.383 1.00 0.00 N ATOM 31 CA PRO A 509 -13.706 0.925 -1.926 1.00 0.00 C ATOM 32 C PRO A 509 -13.353 -0.555 -2.034 1.00 0.00 C ATOM 33 O PRO A 509 -12.183 -0.915 -2.112 1.00 0.00 O ATOM 34 CB PRO A 509 -13.710 1.367 -0.452 1.00 0.00 C ATOM 35 CG PRO A 509 -15.058 1.966 -0.195 1.00 0.00 C ATOM 36 CD PRO A 509 -15.976 1.432 -1.256 1.00 0.00 C ATOM 0 HA PRO A 509 -12.965 1.446 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.529 0.519 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -12.920 2.093 -0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -15.418 1.698 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -15.012 3.054 -0.235 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -16.469 0.513 -0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -16.761 2.145 -1.508 1.00 0.00 H new ATOM 44 N LYS A 510 -14.379 -1.405 -2.030 1.00 0.00 N ATOM 45 CA LYS A 510 -14.206 -2.857 -2.123 1.00 0.00 C ATOM 46 C LYS A 510 -13.920 -3.476 -0.755 1.00 0.00 C ATOM 47 O LYS A 510 -14.147 -4.666 -0.541 1.00 0.00 O ATOM 48 CB LYS A 510 -13.103 -3.220 -3.135 1.00 0.00 C ATOM 49 CG LYS A 510 -11.770 -3.608 -2.505 1.00 0.00 C ATOM 50 CD LYS A 510 -10.597 -3.178 -3.372 1.00 0.00 C ATOM 51 CE LYS A 510 -9.920 -1.940 -2.809 1.00 0.00 C ATOM 52 NZ LYS A 510 -8.439 -1.994 -2.957 1.00 0.00 N ATOM 0 H LYS A 510 -15.353 -1.109 -1.962 1.00 0.00 H new ATOM 0 HA LYS A 510 -15.145 -3.276 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -13.453 -4.047 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -12.943 -2.371 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -11.684 -3.148 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -11.737 -4.687 -2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -9.875 -3.991 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -10.945 -2.976 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -10.303 -1.055 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -10.175 -1.836 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -8.019 -1.130 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -8.069 -2.823 -2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -8.193 -2.067 -3.965 1.00 0.00 H new ATOM 66 N CYS A 511 -13.422 -2.657 0.161 1.00 0.00 N ATOM 67 CA CYS A 511 -13.098 -3.102 1.514 1.00 0.00 C ATOM 68 C CYS A 511 -12.382 -4.451 1.505 1.00 0.00 C ATOM 69 O CYS A 511 -12.975 -5.486 1.813 1.00 0.00 O ATOM 70 CB CYS A 511 -14.370 -3.180 2.363 1.00 0.00 C ATOM 71 SG CYS A 511 -14.470 -1.909 3.665 1.00 0.00 S ATOM 0 H CYS A 511 -13.231 -1.670 -0.009 1.00 0.00 H new ATOM 0 HA CYS A 511 -12.420 -2.370 1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -15.237 -3.085 1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.426 -4.165 2.826 1.00 0.00 H new ATOM 76 N ASN A 512 -11.101 -4.427 1.153 1.00 0.00 N ATOM 77 CA ASN A 512 -10.295 -5.640 1.107 1.00 0.00 C ATOM 78 C ASN A 512 -9.058 -5.493 1.989 1.00 0.00 C ATOM 79 O ASN A 512 -7.966 -5.209 1.500 1.00 0.00 O ATOM 80 CB ASN A 512 -9.882 -5.950 -0.334 1.00 0.00 C ATOM 81 CG ASN A 512 -10.031 -7.420 -0.674 1.00 0.00 C ATOM 82 OD1 ASN A 512 -10.266 -8.251 0.203 1.00 0.00 O ATOM 83 ND2 ASN A 512 -9.893 -7.748 -1.952 1.00 0.00 N ATOM 0 H ASN A 512 -10.598 -3.578 0.895 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.895 -6.467 1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -10.489 -5.358 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.846 -5.648 -0.485 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -9.981 -8.722 -2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -9.699 -7.026 -2.646 1.00 0.00 H new ATOM 90 N PRO A 513 -9.219 -5.684 3.311 1.00 0.00 N ATOM 91 CA PRO A 513 -8.121 -5.568 4.274 1.00 0.00 C ATOM 92 C PRO A 513 -7.248 -6.821 4.345 1.00 0.00 C ATOM 93 O PRO A 513 -6.603 -7.078 5.361 1.00 0.00 O ATOM 94 CB PRO A 513 -8.856 -5.356 5.596 1.00 0.00 C ATOM 95 CG PRO A 513 -10.139 -6.096 5.435 1.00 0.00 C ATOM 96 CD PRO A 513 -10.496 -6.020 3.971 1.00 0.00 C ATOM 0 HA PRO A 513 -7.428 -4.770 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.279 -5.741 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.030 -4.297 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.032 -7.132 5.755 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.923 -5.652 6.049 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -10.896 -6.966 3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.255 -5.260 3.784 1.00 0.00 H new ATOM 104 N ASN A 514 -7.229 -7.595 3.265 1.00 0.00 N ATOM 105 CA ASN A 514 -6.434 -8.815 3.212 1.00 0.00 C ATOM 106 C ASN A 514 -5.092 -8.559 2.526 1.00 0.00 C ATOM 107 O ASN A 514 -4.093 -9.208 2.837 1.00 0.00 O ATOM 108 CB ASN A 514 -7.208 -9.913 2.477 1.00 0.00 C ATOM 109 CG ASN A 514 -6.379 -11.164 2.247 1.00 0.00 C ATOM 110 OD1 ASN A 514 -6.062 -11.511 1.109 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.022 -11.846 3.329 1.00 0.00 N ATOM 0 H ASN A 514 -7.756 -7.398 2.414 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.236 -9.144 4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.097 -10.172 3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.551 -9.528 1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -5.463 -12.694 3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -6.307 -11.522 4.253 1.00 0.00 H new ATOM 118 N LEU A 515 -5.077 -7.611 1.595 1.00 0.00 N ATOM 119 CA LEU A 515 -3.858 -7.272 0.867 1.00 0.00 C ATOM 120 C LEU A 515 -3.071 -6.190 1.600 1.00 0.00 C ATOM 121 O LEU A 515 -3.034 -5.036 1.171 1.00 0.00 O ATOM 122 CB LEU A 515 -4.198 -6.805 -0.548 1.00 0.00 C ATOM 123 CG LEU A 515 -5.088 -7.755 -1.350 1.00 0.00 C ATOM 124 CD1 LEU A 515 -5.565 -7.088 -2.629 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.343 -9.044 -1.663 1.00 0.00 C ATOM 0 H LEU A 515 -5.895 -7.063 1.326 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.239 -8.167 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -4.693 -5.836 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.268 -6.653 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.962 -8.001 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.197 -7.780 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.136 -6.193 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.704 -6.812 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -4.991 -9.709 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.451 -8.816 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.053 -9.532 -0.732 1.00 0.00 H new ATOM 137 N HIS A 516 -2.444 -6.570 2.709 1.00 0.00 N ATOM 138 CA HIS A 516 -1.658 -5.632 3.505 1.00 0.00 C ATOM 139 C HIS A 516 -0.305 -5.344 2.858 1.00 0.00 C ATOM 140 O HIS A 516 0.371 -4.381 3.221 1.00 0.00 O ATOM 141 CB HIS A 516 -1.451 -6.183 4.917 1.00 0.00 C ATOM 142 CG HIS A 516 -0.774 -5.219 5.842 1.00 0.00 C ATOM 143 ND1 HIS A 516 0.580 -4.959 5.800 1.00 0.00 N ATOM 144 CD2 HIS A 516 -1.272 -4.451 6.840 1.00 0.00 C ATOM 145 CE1 HIS A 516 0.885 -4.074 6.732 1.00 0.00 C ATOM 146 NE2 HIS A 516 -0.219 -3.749 7.376 1.00 0.00 N ATOM 0 H HIS A 516 -2.465 -7.521 3.077 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.213 -4.696 3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.419 -6.458 5.337 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.858 -7.096 4.859 1.00 0.00 H new ATOM 0 HD1 HIS A 516 1.242 -5.384 5.151 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.304 -4.400 7.156 1.00 0.00 H new ATOM 0 HE1 HIS A 516 1.871 -3.683 6.933 1.00 0.00 H new ATOM 155 N TYR A 517 0.091 -6.182 1.905 1.00 0.00 N ATOM 156 CA TYR A 517 1.369 -6.010 1.221 1.00 0.00 C ATOM 157 C TYR A 517 1.278 -4.945 0.132 1.00 0.00 C ATOM 158 O TYR A 517 2.226 -4.191 -0.092 1.00 0.00 O ATOM 159 CB TYR A 517 1.826 -7.336 0.612 1.00 0.00 C ATOM 160 CG TYR A 517 2.384 -8.309 1.627 1.00 0.00 C ATOM 161 CD1 TYR A 517 3.697 -8.204 2.069 1.00 0.00 C ATOM 162 CD2 TYR A 517 1.597 -9.331 2.143 1.00 0.00 C ATOM 163 CE1 TYR A 517 4.210 -9.091 2.995 1.00 0.00 C ATOM 164 CE2 TYR A 517 2.103 -10.221 3.070 1.00 0.00 C ATOM 165 CZ TYR A 517 3.409 -10.097 3.494 1.00 0.00 C ATOM 166 OH TYR A 517 3.917 -10.982 4.418 1.00 0.00 O ATOM 0 H TYR A 517 -0.453 -6.985 1.589 1.00 0.00 H new ATOM 0 HA TYR A 517 2.100 -5.680 1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.983 -7.801 0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.586 -7.136 -0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 517 4.326 -7.416 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 517 0.573 -9.431 1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 517 5.233 -8.997 3.327 1.00 0.00 H new ATOM 0 HE2 TYR A 517 1.478 -11.011 3.461 1.00 0.00 H new ATOM 0 HH TYR A 517 3.224 -11.628 4.668 1.00 0.00 H new ATOM 176 N TRP A 518 0.138 -4.891 -0.549 1.00 0.00 N ATOM 177 CA TRP A 518 -0.068 -3.923 -1.622 1.00 0.00 C ATOM 178 C TRP A 518 -0.775 -2.667 -1.115 1.00 0.00 C ATOM 179 O TRP A 518 -0.696 -1.611 -1.739 1.00 0.00 O ATOM 180 CB TRP A 518 -0.878 -4.554 -2.756 1.00 0.00 C ATOM 181 CG TRP A 518 -0.079 -5.499 -3.599 1.00 0.00 C ATOM 182 CD1 TRP A 518 0.975 -5.185 -4.409 1.00 0.00 C ATOM 183 CD2 TRP A 518 -0.267 -6.914 -3.715 1.00 0.00 C ATOM 184 NE1 TRP A 518 1.453 -6.318 -5.022 1.00 0.00 N ATOM 185 CE2 TRP A 518 0.706 -7.392 -4.613 1.00 0.00 C ATOM 186 CE3 TRP A 518 -1.164 -7.824 -3.148 1.00 0.00 C ATOM 187 CZ2 TRP A 518 0.808 -8.739 -4.954 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -1.063 -9.160 -3.488 1.00 0.00 C ATOM 189 CH2 TRP A 518 -0.083 -9.606 -4.384 1.00 0.00 C ATOM 0 H TRP A 518 -0.658 -5.506 -0.377 1.00 0.00 H new ATOM 0 HA TRP A 518 0.913 -3.631 -1.997 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.729 -5.087 -2.332 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -1.280 -3.764 -3.390 1.00 0.00 H new ATOM 0 HD1 TRP A 518 1.374 -4.191 -4.547 1.00 0.00 H new ATOM 0 HE1 TRP A 518 2.236 -6.354 -5.675 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -1.923 -7.489 -2.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 1.563 -9.086 -5.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -1.751 -9.872 -3.056 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -0.030 -10.656 -4.630 1.00 0.00 H new ATOM 200 N THR A 519 -1.466 -2.791 0.015 1.00 0.00 N ATOM 201 CA THR A 519 -2.191 -1.668 0.604 1.00 0.00 C ATOM 202 C THR A 519 -3.227 -1.112 -0.379 1.00 0.00 C ATOM 203 O THR A 519 -4.414 -1.415 -0.270 1.00 0.00 O ATOM 204 CB THR A 519 -1.215 -0.571 1.072 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.947 0.357 0.037 1.00 0.00 O ATOM 206 CG2 THR A 519 0.115 -1.119 1.545 1.00 0.00 C ATOM 0 H THR A 519 -1.539 -3.661 0.543 1.00 0.00 H new ATOM 0 HA THR A 519 -2.728 -2.030 1.481 1.00 0.00 H new ATOM 0 HB THR A 519 -1.718 -0.087 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.031 0.694 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 519 0.756 -0.296 1.861 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.048 -1.795 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.595 -1.661 0.731 1.00 0.00 H new ATOM 214 N THR A 520 -2.781 -0.316 -1.350 1.00 0.00 N ATOM 215 CA THR A 520 -3.683 0.252 -2.347 1.00 0.00 C ATOM 216 C THR A 520 -2.898 1.148 -3.292 1.00 0.00 C ATOM 217 O THR A 520 -2.782 0.863 -4.484 1.00 0.00 O ATOM 218 CB THR A 520 -4.809 1.041 -1.668 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.904 0.193 -1.368 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.335 2.183 -2.508 1.00 0.00 C ATOM 0 H THR A 520 -1.803 -0.051 -1.466 1.00 0.00 H new ATOM 0 HA THR A 520 -4.136 -0.558 -2.919 1.00 0.00 H new ATOM 0 HB THR A 520 -4.364 1.453 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.573 -0.702 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 520 -6.129 2.697 -1.967 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.526 2.883 -2.718 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.730 1.793 -3.446 1.00 0.00 H new ATOM 228 N GLN A 521 -2.324 2.211 -2.743 1.00 0.00 N ATOM 229 CA GLN A 521 -1.509 3.117 -3.531 1.00 0.00 C ATOM 230 C GLN A 521 -0.177 2.455 -3.821 1.00 0.00 C ATOM 231 O GLN A 521 0.578 2.890 -4.690 1.00 0.00 O ATOM 232 CB GLN A 521 -1.304 4.444 -2.796 1.00 0.00 C ATOM 233 CG GLN A 521 -2.056 5.608 -3.419 1.00 0.00 C ATOM 234 CD GLN A 521 -3.469 5.743 -2.885 1.00 0.00 C ATOM 235 OE1 GLN A 521 -3.589 6.030 -1.595 1.00 0.00 O flip ATOM 236 NE2 GLN A 521 -4.441 5.590 -3.625 1.00 0.00 N flip ATOM 0 H GLN A 521 -2.409 2.464 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 521 -2.018 3.336 -4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.623 4.329 -1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.240 4.678 -2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.510 6.532 -3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -2.091 5.476 -4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -4.302 5.370 -4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -5.386 5.683 -3.252 1.00 0.00 H new ATOM 245 N ASP A 522 0.093 1.381 -3.089 1.00 0.00 N ATOM 246 CA ASP A 522 1.313 0.632 -3.263 1.00 0.00 C ATOM 247 C ASP A 522 1.104 -0.537 -4.222 1.00 0.00 C ATOM 248 O ASP A 522 2.062 -1.177 -4.654 1.00 0.00 O ATOM 249 CB ASP A 522 1.842 0.138 -1.919 1.00 0.00 C ATOM 250 CG ASP A 522 2.399 1.265 -1.074 1.00 0.00 C ATOM 251 OD1 ASP A 522 3.496 1.764 -1.401 1.00 0.00 O ATOM 252 OD2 ASP A 522 1.740 1.650 -0.086 1.00 0.00 O ATOM 0 H ASP A 522 -0.527 1.014 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 522 2.057 1.299 -3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.039 -0.359 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 522 2.620 -0.606 -2.088 1.00 0.00 H new ATOM 257 N GLU A 523 -0.158 -0.816 -4.546 1.00 0.00 N ATOM 258 CA GLU A 523 -0.502 -1.910 -5.450 1.00 0.00 C ATOM 259 C GLU A 523 0.402 -1.915 -6.682 1.00 0.00 C ATOM 260 O GLU A 523 0.652 -2.964 -7.277 1.00 0.00 O ATOM 261 CB GLU A 523 -1.970 -1.792 -5.872 1.00 0.00 C ATOM 262 CG GLU A 523 -2.233 -0.690 -6.889 1.00 0.00 C ATOM 263 CD GLU A 523 -2.564 -1.232 -8.266 1.00 0.00 C ATOM 264 OE1 GLU A 523 -3.754 -1.512 -8.524 1.00 0.00 O ATOM 265 OE2 GLU A 523 -1.634 -1.377 -9.086 1.00 0.00 O ATOM 0 H GLU A 523 -0.962 -0.296 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.352 -2.851 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.295 -2.744 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.579 -1.609 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -3.057 -0.068 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.355 -0.047 -6.957 1.00 0.00 H new ATOM 272 N GLY A 524 0.890 -0.739 -7.055 1.00 0.00 N ATOM 273 CA GLY A 524 1.762 -0.630 -8.208 1.00 0.00 C ATOM 274 C GLY A 524 1.613 0.698 -8.922 1.00 0.00 C ATOM 275 O GLY A 524 1.580 0.748 -10.152 1.00 0.00 O ATOM 0 H GLY A 524 0.697 0.142 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.797 -0.754 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.543 -1.440 -8.904 1.00 0.00 H new ATOM 279 N ALA A 525 1.514 1.777 -8.151 1.00 0.00 N ATOM 280 CA ALA A 525 1.360 3.108 -8.725 1.00 0.00 C ATOM 281 C ALA A 525 2.656 3.910 -8.654 1.00 0.00 C ATOM 282 O ALA A 525 3.146 4.402 -9.669 1.00 0.00 O ATOM 283 CB ALA A 525 0.234 3.857 -8.027 1.00 0.00 C ATOM 0 H ALA A 525 1.538 1.755 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 525 1.108 2.985 -9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 525 0.130 4.849 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.699 3.307 -8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.463 3.952 -6.966 1.00 0.00 H new ATOM 289 N ALA A 526 3.209 4.036 -7.452 1.00 0.00 N ATOM 290 CA ALA A 526 4.449 4.774 -7.259 1.00 0.00 C ATOM 291 C ALA A 526 5.413 3.958 -6.425 1.00 0.00 C ATOM 292 O ALA A 526 5.984 4.439 -5.445 1.00 0.00 O ATOM 293 CB ALA A 526 4.177 6.122 -6.609 1.00 0.00 C ATOM 0 H ALA A 526 2.818 3.637 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 526 4.902 4.958 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 526 5.117 6.657 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.515 6.707 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.704 5.969 -5.639 1.00 0.00 H new ATOM 299 N ILE A 527 5.566 2.706 -6.817 1.00 0.00 N ATOM 300 CA ILE A 527 6.433 1.783 -6.116 1.00 0.00 C ATOM 301 C ILE A 527 7.827 1.701 -6.739 1.00 0.00 C ATOM 302 O ILE A 527 8.717 1.047 -6.198 1.00 0.00 O ATOM 303 CB ILE A 527 5.789 0.387 -6.066 1.00 0.00 C ATOM 304 CG1 ILE A 527 5.333 -0.067 -7.460 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.601 0.429 -5.125 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.441 -0.111 -8.490 1.00 0.00 C ATOM 0 H ILE A 527 5.094 2.304 -7.627 1.00 0.00 H new ATOM 0 HA ILE A 527 6.558 2.165 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 527 6.529 -0.328 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.887 -1.058 -7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.551 0.606 -7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 527 4.136 -0.556 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.936 0.716 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.875 1.157 -5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 527 6.036 -0.441 -9.446 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.873 0.883 -8.603 1.00 0.00 H new ATOM 0 HD13 ILE A 527 7.214 -0.807 -8.164 1.00 0.00 H new ATOM 318 N GLY A 528 8.010 2.360 -7.877 1.00 0.00 N ATOM 319 CA GLY A 528 9.294 2.337 -8.556 1.00 0.00 C ATOM 320 C GLY A 528 10.459 2.776 -7.682 1.00 0.00 C ATOM 321 O GLY A 528 11.617 2.588 -8.055 1.00 0.00 O ATOM 0 H GLY A 528 7.290 2.912 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 528 9.485 1.327 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 528 9.244 2.986 -9.431 1.00 0.00 H new ATOM 325 N LEU A 529 10.168 3.372 -6.527 1.00 0.00 N ATOM 326 CA LEU A 529 11.220 3.840 -5.632 1.00 0.00 C ATOM 327 C LEU A 529 11.509 2.821 -4.528 1.00 0.00 C ATOM 328 O LEU A 529 12.663 2.599 -4.163 1.00 0.00 O ATOM 329 CB LEU A 529 10.818 5.190 -5.020 1.00 0.00 C ATOM 330 CG LEU A 529 11.593 5.624 -3.769 1.00 0.00 C ATOM 331 CD1 LEU A 529 11.021 4.957 -2.527 1.00 0.00 C ATOM 332 CD2 LEU A 529 13.077 5.312 -3.911 1.00 0.00 C ATOM 0 H LEU A 529 9.219 3.541 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 529 12.133 3.964 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 529 10.937 5.961 -5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 529 9.758 5.151 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 529 11.484 6.703 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 529 11.584 5.277 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 529 9.975 5.241 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 529 11.094 3.874 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 529 13.603 5.630 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 529 13.212 4.239 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 529 13.480 5.843 -4.773 1.00 0.00 H new ATOM 344 N ALA A 530 10.454 2.225 -3.988 1.00 0.00 N ATOM 345 CA ALA A 530 10.592 1.252 -2.908 1.00 0.00 C ATOM 346 C ALA A 530 10.414 -0.185 -3.382 1.00 0.00 C ATOM 347 O ALA A 530 10.448 -1.114 -2.575 1.00 0.00 O ATOM 348 CB ALA A 530 9.587 1.556 -1.821 1.00 0.00 C ATOM 0 H ALA A 530 9.492 2.397 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 530 11.608 1.340 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 530 9.691 0.829 -1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 530 9.765 2.558 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.579 1.501 -2.232 1.00 0.00 H new ATOM 354 N TRP A 531 10.206 -0.375 -4.677 1.00 0.00 N ATOM 355 CA TRP A 531 10.005 -1.712 -5.220 1.00 0.00 C ATOM 356 C TRP A 531 11.289 -2.544 -5.206 1.00 0.00 C ATOM 357 O TRP A 531 11.440 -3.472 -6.000 1.00 0.00 O ATOM 358 CB TRP A 531 9.446 -1.620 -6.638 1.00 0.00 C ATOM 359 CG TRP A 531 9.076 -2.949 -7.222 1.00 0.00 C ATOM 360 CD1 TRP A 531 7.969 -3.692 -6.930 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.813 -3.692 -8.199 1.00 0.00 C ATOM 362 NE1 TRP A 531 7.973 -4.853 -7.665 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.094 -4.876 -8.452 1.00 0.00 C ATOM 364 CE3 TRP A 531 11.010 -3.472 -8.886 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.534 -5.835 -9.362 1.00 0.00 C ATOM 366 CZ3 TRP A 531 11.446 -4.424 -9.788 1.00 0.00 C ATOM 367 CH2 TRP A 531 10.709 -5.592 -10.019 1.00 0.00 C ATOM 0 H TRP A 531 10.172 0.374 -5.368 1.00 0.00 H new ATOM 0 HA TRP A 531 9.287 -2.222 -4.578 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.566 -0.977 -6.632 1.00 0.00 H new ATOM 0 HB3 TRP A 531 10.185 -1.143 -7.281 1.00 0.00 H new ATOM 0 HD1 TRP A 531 7.202 -3.409 -6.224 1.00 0.00 H new ATOM 0 HE1 TRP A 531 7.258 -5.579 -7.630 1.00 0.00 H new ATOM 0 HE3 TRP A 531 11.584 -2.574 -8.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 8.968 -6.737 -9.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 12.370 -4.264 -10.323 1.00 0.00 H new ATOM 0 HH2 TRP A 531 11.076 -6.316 -10.731 1.00 0.00 H new ATOM 378 N ILE A 532 12.201 -2.224 -4.290 1.00 0.00 N ATOM 379 CA ILE A 532 13.452 -2.959 -4.171 1.00 0.00 C ATOM 380 C ILE A 532 14.071 -2.761 -2.787 1.00 0.00 C ATOM 381 O ILE A 532 15.093 -2.091 -2.643 1.00 0.00 O ATOM 382 CB ILE A 532 14.475 -2.530 -5.243 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.735 -1.023 -5.163 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.988 -2.918 -6.632 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.144 -0.676 -4.732 1.00 0.00 C ATOM 0 H ILE A 532 12.094 -1.461 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 532 13.211 -4.012 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 532 15.413 -3.051 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.541 -0.577 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.029 -0.577 -4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.723 -2.607 -7.375 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.856 -3.999 -6.682 1.00 0.00 H new ATOM 0 HG23 ILE A 532 13.037 -2.426 -6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.257 0.408 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.335 -1.093 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.856 -1.092 -5.445 1.00 0.00 H new ATOM 397 N PRO A 533 13.459 -3.351 -1.745 1.00 0.00 N ATOM 398 CA PRO A 533 13.955 -3.243 -0.369 1.00 0.00 C ATOM 399 C PRO A 533 15.434 -3.604 -0.267 1.00 0.00 C ATOM 400 O PRO A 533 15.812 -4.762 -0.445 1.00 0.00 O ATOM 401 CB PRO A 533 13.097 -4.248 0.415 1.00 0.00 C ATOM 402 CG PRO A 533 12.373 -5.054 -0.614 1.00 0.00 C ATOM 403 CD PRO A 533 12.244 -4.171 -1.820 1.00 0.00 C ATOM 0 HA PRO A 533 13.878 -2.225 0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 533 13.718 -4.885 1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 533 12.397 -3.734 1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 533 12.923 -5.964 -0.854 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.393 -5.361 -0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.201 -4.749 -2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.341 -3.562 -1.782 1.00 0.00 H new ATOM 411 N TYR A 534 16.271 -2.605 0.004 1.00 0.00 N ATOM 412 CA TYR A 534 17.709 -2.827 0.107 1.00 0.00 C ATOM 413 C TYR A 534 18.164 -3.021 1.554 1.00 0.00 C ATOM 414 O TYR A 534 18.811 -4.017 1.877 1.00 0.00 O ATOM 415 CB TYR A 534 18.464 -1.653 -0.521 1.00 0.00 C ATOM 416 CG TYR A 534 19.570 -2.077 -1.461 1.00 0.00 C ATOM 417 CD1 TYR A 534 19.310 -2.909 -2.541 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.876 -1.643 -1.267 1.00 0.00 C ATOM 419 CE1 TYR A 534 20.318 -3.298 -3.402 1.00 0.00 C ATOM 420 CE2 TYR A 534 21.890 -2.027 -2.124 1.00 0.00 C ATOM 421 CZ TYR A 534 21.607 -2.855 -3.189 1.00 0.00 C ATOM 422 OH TYR A 534 22.613 -3.240 -4.045 1.00 0.00 O ATOM 0 H TYR A 534 15.979 -1.639 0.155 1.00 0.00 H new ATOM 0 HA TYR A 534 17.935 -3.746 -0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.757 -1.026 -1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 534 18.889 -1.039 0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 534 18.302 -3.258 -2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 534 21.102 -0.995 -0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 534 20.098 -3.946 -4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 534 22.899 -1.680 -1.960 1.00 0.00 H new ATOM 0 HH TYR A 534 23.460 -2.841 -3.755 1.00 0.00 H new ATOM 432 N PHE A 535 17.843 -2.062 2.421 1.00 0.00 N ATOM 433 CA PHE A 535 18.248 -2.144 3.824 1.00 0.00 C ATOM 434 C PHE A 535 17.049 -2.184 4.768 1.00 0.00 C ATOM 435 O PHE A 535 17.091 -2.844 5.807 1.00 0.00 O ATOM 436 CB PHE A 535 19.147 -0.956 4.178 1.00 0.00 C ATOM 437 CG PHE A 535 20.576 -1.339 4.434 1.00 0.00 C ATOM 438 CD1 PHE A 535 20.968 -1.817 5.674 1.00 0.00 C ATOM 439 CD2 PHE A 535 21.528 -1.221 3.433 1.00 0.00 C ATOM 440 CE1 PHE A 535 22.282 -2.169 5.912 1.00 0.00 C ATOM 441 CE2 PHE A 535 22.843 -1.574 3.665 1.00 0.00 C ATOM 442 CZ PHE A 535 23.222 -2.048 4.906 1.00 0.00 C ATOM 0 H PHE A 535 17.309 -1.227 2.181 1.00 0.00 H new ATOM 0 HA PHE A 535 18.798 -3.076 3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 535 19.114 -0.231 3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 535 18.748 -0.460 5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 535 20.238 -1.915 6.463 1.00 0.00 H new ATOM 0 HD2 PHE A 535 21.238 -0.849 2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 535 22.575 -2.539 6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 535 23.575 -1.479 2.876 1.00 0.00 H new ATOM 0 HZ PHE A 535 24.250 -2.323 5.090 1.00 0.00 H new ATOM 452 N GLY A 536 15.988 -1.468 4.415 1.00 0.00 N ATOM 453 CA GLY A 536 14.807 -1.435 5.258 1.00 0.00 C ATOM 454 C GLY A 536 13.887 -2.617 5.030 1.00 0.00 C ATOM 455 O GLY A 536 14.216 -3.521 4.261 1.00 0.00 O ATOM 0 H GLY A 536 15.924 -0.911 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 536 15.114 -1.416 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 536 14.258 -0.512 5.070 1.00 0.00 H new ATOM 459 N PRO A 537 12.713 -2.636 5.686 1.00 0.00 N ATOM 460 CA PRO A 537 11.741 -3.722 5.536 1.00 0.00 C ATOM 461 C PRO A 537 11.313 -3.884 4.082 1.00 0.00 C ATOM 462 O PRO A 537 12.036 -3.481 3.174 1.00 0.00 O ATOM 463 CB PRO A 537 10.557 -3.280 6.411 1.00 0.00 C ATOM 464 CG PRO A 537 10.754 -1.820 6.630 1.00 0.00 C ATOM 465 CD PRO A 537 12.237 -1.598 6.612 1.00 0.00 C ATOM 0 HA PRO A 537 12.147 -4.689 5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 537 9.606 -3.479 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 537 10.543 -3.821 7.357 1.00 0.00 H new ATOM 0 HG2 PRO A 537 10.263 -1.238 5.850 1.00 0.00 H new ATOM 0 HG3 PRO A 537 10.324 -1.506 7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 537 12.492 -0.597 6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 537 12.674 -1.710 7.604 1.00 0.00 H new ATOM 473 N ALA A 538 10.139 -4.469 3.862 1.00 0.00 N ATOM 474 CA ALA A 538 9.632 -4.670 2.507 1.00 0.00 C ATOM 475 C ALA A 538 9.846 -3.426 1.649 1.00 0.00 C ATOM 476 O ALA A 538 10.270 -3.522 0.499 1.00 0.00 O ATOM 477 CB ALA A 538 8.158 -5.040 2.534 1.00 0.00 C ATOM 0 H ALA A 538 9.523 -4.811 4.600 1.00 0.00 H new ATOM 0 HA ALA A 538 10.192 -5.493 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 538 7.801 -5.185 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 538 8.025 -5.962 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 538 7.590 -4.239 3.007 1.00 0.00 H new ATOM 483 N ALA A 539 9.553 -2.258 2.221 1.00 0.00 N ATOM 484 CA ALA A 539 9.715 -0.985 1.516 1.00 0.00 C ATOM 485 C ALA A 539 8.674 -0.813 0.422 1.00 0.00 C ATOM 486 O ALA A 539 8.021 0.226 0.323 1.00 0.00 O ATOM 487 CB ALA A 539 11.095 -0.891 0.901 1.00 0.00 C ATOM 0 H ALA A 539 9.201 -2.167 3.174 1.00 0.00 H new ATOM 0 HA ALA A 539 9.582 -0.192 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.198 0.062 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.848 -0.959 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.234 -1.708 0.193 1.00 0.00 H new ATOM 493 N GLU A 540 8.545 -1.845 -0.400 1.00 0.00 N ATOM 494 CA GLU A 540 7.610 -1.870 -1.517 1.00 0.00 C ATOM 495 C GLU A 540 6.280 -1.183 -1.189 1.00 0.00 C ATOM 496 O GLU A 540 5.587 -0.708 -2.090 1.00 0.00 O ATOM 497 CB GLU A 540 7.370 -3.328 -1.901 1.00 0.00 C ATOM 498 CG GLU A 540 8.032 -3.739 -3.204 1.00 0.00 C ATOM 499 CD GLU A 540 7.680 -5.156 -3.613 1.00 0.00 C ATOM 500 OE1 GLU A 540 6.499 -5.404 -3.936 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.584 -6.017 -3.611 1.00 0.00 O ATOM 0 H GLU A 540 9.094 -2.700 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 540 8.046 -1.313 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.738 -3.969 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.297 -3.500 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.730 -3.051 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.114 -3.652 -3.101 1.00 0.00 H new ATOM 508 N GLY A 541 5.919 -1.139 0.092 1.00 0.00 N ATOM 509 CA GLY A 541 4.669 -0.514 0.481 1.00 0.00 C ATOM 510 C GLY A 541 4.846 0.762 1.293 1.00 0.00 C ATOM 511 O GLY A 541 4.300 1.805 0.940 1.00 0.00 O ATOM 0 H GLY A 541 6.467 -1.523 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.093 -0.286 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.084 -1.226 1.063 1.00 0.00 H new ATOM 515 N ILE A 542 5.579 0.672 2.398 1.00 0.00 N ATOM 516 CA ILE A 542 5.787 1.821 3.282 1.00 0.00 C ATOM 517 C ILE A 542 6.849 2.800 2.778 1.00 0.00 C ATOM 518 O ILE A 542 6.839 3.972 3.155 1.00 0.00 O ATOM 519 CB ILE A 542 6.159 1.378 4.713 1.00 0.00 C ATOM 520 CG1 ILE A 542 7.612 0.889 4.793 1.00 0.00 C ATOM 521 CG2 ILE A 542 5.200 0.301 5.203 1.00 0.00 C ATOM 522 CD1 ILE A 542 7.862 -0.415 4.071 1.00 0.00 C ATOM 0 H ILE A 542 6.041 -0.184 2.706 1.00 0.00 H new ATOM 0 HA ILE A 542 4.830 2.342 3.289 1.00 0.00 H new ATOM 0 HB ILE A 542 6.070 2.247 5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.266 1.655 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 542 7.888 0.771 5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 542 5.477 -0.000 6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 542 4.183 0.694 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 542 5.253 -0.562 4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 542 8.911 -0.693 4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 542 7.236 -1.196 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 542 7.620 -0.298 3.015 1.00 0.00 H new ATOM 534 N TYR A 543 7.758 2.336 1.934 1.00 0.00 N ATOM 535 CA TYR A 543 8.805 3.207 1.407 1.00 0.00 C ATOM 536 C TYR A 543 8.429 3.690 0.016 1.00 0.00 C ATOM 537 O TYR A 543 8.988 4.660 -0.496 1.00 0.00 O ATOM 538 CB TYR A 543 10.147 2.477 1.362 1.00 0.00 C ATOM 539 CG TYR A 543 10.980 2.660 2.612 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.800 1.838 3.718 1.00 0.00 C ATOM 541 CD2 TYR A 543 11.949 3.653 2.683 1.00 0.00 C ATOM 542 CE1 TYR A 543 11.561 2.001 4.859 1.00 0.00 C ATOM 543 CE2 TYR A 543 12.715 3.822 3.822 1.00 0.00 C ATOM 544 CZ TYR A 543 12.517 2.994 4.906 1.00 0.00 C ATOM 545 OH TYR A 543 13.277 3.159 6.041 1.00 0.00 O ATOM 0 H TYR A 543 7.795 1.373 1.600 1.00 0.00 H new ATOM 0 HA TYR A 543 8.903 4.066 2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.967 1.413 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.715 2.832 0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.053 1.059 3.685 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.107 4.303 1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 543 11.408 1.354 5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 543 13.464 4.599 3.862 1.00 0.00 H new ATOM 0 HH TYR A 543 13.904 3.901 5.910 1.00 0.00 H new ATOM 555 N ALA A 544 7.473 2.998 -0.582 1.00 0.00 N ATOM 556 CA ALA A 544 6.992 3.324 -1.907 1.00 0.00 C ATOM 557 C ALA A 544 5.811 4.278 -1.817 1.00 0.00 C ATOM 558 O ALA A 544 5.521 5.022 -2.754 1.00 0.00 O ATOM 559 CB ALA A 544 6.597 2.041 -2.611 1.00 0.00 C ATOM 0 H ALA A 544 7.010 2.194 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 544 7.778 3.820 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.232 2.273 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.464 1.384 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 544 5.810 1.542 -2.045 1.00 0.00 H new ATOM 565 N GLU A 545 5.128 4.242 -0.675 1.00 0.00 N ATOM 566 CA GLU A 545 3.971 5.099 -0.454 1.00 0.00 C ATOM 567 C GLU A 545 4.193 6.043 0.731 1.00 0.00 C ATOM 568 O GLU A 545 3.706 7.172 0.738 1.00 0.00 O ATOM 569 CB GLU A 545 2.741 4.228 -0.204 1.00 0.00 C ATOM 570 CG GLU A 545 1.534 5.009 0.279 1.00 0.00 C ATOM 571 CD GLU A 545 1.130 6.106 -0.687 1.00 0.00 C ATOM 572 OE1 GLU A 545 1.997 6.931 -1.043 1.00 0.00 O ATOM 573 OE2 GLU A 545 -0.051 6.140 -1.087 1.00 0.00 O ATOM 0 H GLU A 545 5.357 3.630 0.108 1.00 0.00 H new ATOM 0 HA GLU A 545 3.819 5.712 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.481 3.707 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 545 2.990 3.466 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 545 0.696 4.326 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 545 1.755 5.448 1.252 1.00 0.00 H new ATOM 580 N GLY A 546 4.942 5.567 1.719 1.00 0.00 N ATOM 581 CA GLY A 546 5.245 6.358 2.900 1.00 0.00 C ATOM 582 C GLY A 546 4.084 7.198 3.407 1.00 0.00 C ATOM 583 O GLY A 546 4.282 8.350 3.792 1.00 0.00 O ATOM 0 H GLY A 546 5.351 4.633 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.569 5.689 3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.084 7.017 2.676 1.00 0.00 H new ATOM 587 N LEU A 547 2.875 6.635 3.431 1.00 0.00 N ATOM 588 CA LEU A 547 1.719 7.384 3.926 1.00 0.00 C ATOM 589 C LEU A 547 0.435 6.545 3.903 1.00 0.00 C ATOM 590 O LEU A 547 -0.156 6.286 4.952 1.00 0.00 O ATOM 591 CB LEU A 547 1.579 8.690 3.120 1.00 0.00 C ATOM 592 CG LEU A 547 0.259 8.923 2.369 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.193 10.367 2.525 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.421 8.571 0.896 1.00 0.00 C ATOM 0 H LEU A 547 2.672 5.685 3.121 1.00 0.00 H new ATOM 0 HA LEU A 547 1.884 7.636 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.728 9.525 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.390 8.725 2.393 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.505 8.275 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.129 10.515 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.342 10.589 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.568 11.033 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.522 8.741 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.197 9.197 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.704 7.523 0.801 1.00 0.00 H new ATOM 606 N MET A 548 0.013 6.116 2.721 1.00 0.00 N ATOM 607 CA MET A 548 -1.193 5.301 2.592 1.00 0.00 C ATOM 608 C MET A 548 -0.846 3.816 2.543 1.00 0.00 C ATOM 609 O MET A 548 -1.696 2.981 2.235 1.00 0.00 O ATOM 610 CB MET A 548 -1.985 5.693 1.341 1.00 0.00 C ATOM 611 CG MET A 548 -3.190 6.574 1.631 1.00 0.00 C ATOM 612 SD MET A 548 -2.825 8.332 1.459 1.00 0.00 S ATOM 613 CE MET A 548 -3.824 9.018 2.778 1.00 0.00 C ATOM 0 H MET A 548 0.484 6.317 1.839 1.00 0.00 H new ATOM 0 HA MET A 548 -1.812 5.485 3.470 1.00 0.00 H new ATOM 0 HB2 MET A 548 -1.322 6.215 0.651 1.00 0.00 H new ATOM 0 HB3 MET A 548 -2.321 4.787 0.836 1.00 0.00 H new ATOM 0 HG2 MET A 548 -4.001 6.308 0.953 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.543 6.378 2.643 1.00 0.00 H new ATOM 0 HE1 MET A 548 -3.704 10.101 2.800 1.00 0.00 H new ATOM 0 HE2 MET A 548 -4.872 8.772 2.606 1.00 0.00 H new ATOM 0 HE3 MET A 548 -3.505 8.599 3.732 1.00 0.00 H new ATOM 623 N HIS A 549 0.404 3.492 2.855 1.00 0.00 N ATOM 624 CA HIS A 549 0.856 2.108 2.853 1.00 0.00 C ATOM 625 C HIS A 549 0.071 1.272 3.863 1.00 0.00 C ATOM 626 O HIS A 549 0.184 0.048 3.887 1.00 0.00 O ATOM 627 CB HIS A 549 2.351 2.039 3.171 1.00 0.00 C ATOM 628 CG HIS A 549 2.692 2.506 4.552 1.00 0.00 C ATOM 629 ND1 HIS A 549 2.346 2.012 5.765 1.00 0.00 N flip ATOM 630 CD2 HIS A 549 3.481 3.610 4.802 1.00 0.00 C flip ATOM 631 CE1 HIS A 549 2.926 2.818 6.713 1.00 0.00 C flip ATOM 632 NE2 HIS A 549 3.605 3.774 6.106 1.00 0.00 N flip ATOM 0 H HIS A 549 1.121 4.170 3.112 1.00 0.00 H new ATOM 0 HA HIS A 549 0.681 1.698 1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 549 2.693 1.011 3.049 1.00 0.00 H new ATOM 0 HB3 HIS A 549 2.896 2.644 2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 549 3.928 4.242 4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 549 2.841 2.691 7.782 1.00 0.00 H new ATOM 0 HE2 HIS A 549 4.135 4.514 6.566 1.00 0.00 H new ATOM 641 N ASN A 550 -0.700 1.934 4.717 1.00 0.00 N ATOM 642 CA ASN A 550 -1.468 1.235 5.735 1.00 0.00 C ATOM 643 C ASN A 550 -2.901 0.957 5.290 1.00 0.00 C ATOM 644 O ASN A 550 -3.474 -0.073 5.644 1.00 0.00 O ATOM 645 CB ASN A 550 -1.465 2.045 7.031 1.00 0.00 C ATOM 646 CG ASN A 550 -2.258 1.380 8.140 1.00 0.00 C ATOM 647 OD1 ASN A 550 -3.405 1.741 8.402 1.00 0.00 O ATOM 648 ND2 ASN A 550 -1.647 0.403 8.802 1.00 0.00 N ATOM 0 H ASN A 550 -0.809 2.948 4.724 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.991 0.269 5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -0.436 2.189 7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.879 3.034 6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -2.130 -0.079 9.560 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -0.695 0.135 8.552 1.00 0.00 H new ATOM 655 N GLN A 551 -3.477 1.870 4.521 1.00 0.00 N ATOM 656 CA GLN A 551 -4.845 1.699 4.041 1.00 0.00 C ATOM 657 C GLN A 551 -4.926 0.525 3.074 1.00 0.00 C ATOM 658 O GLN A 551 -5.074 0.705 1.865 1.00 0.00 O ATOM 659 CB GLN A 551 -5.349 2.978 3.368 1.00 0.00 C ATOM 660 CG GLN A 551 -4.419 3.511 2.294 1.00 0.00 C ATOM 661 CD GLN A 551 -5.167 4.161 1.147 1.00 0.00 C ATOM 662 OE1 GLN A 551 -4.723 3.893 -0.076 1.00 0.00 O flip ATOM 663 NE2 GLN A 551 -6.131 4.897 1.356 1.00 0.00 N flip ATOM 0 H GLN A 551 -3.024 2.732 4.217 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.483 1.490 4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -6.326 2.784 2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.490 3.746 4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.737 4.237 2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.809 2.694 1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -6.438 5.076 2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -6.623 5.328 0.573 1.00 0.00 H new ATOM 672 N ASP A 552 -4.813 -0.679 3.623 1.00 0.00 N ATOM 673 CA ASP A 552 -4.858 -1.902 2.831 1.00 0.00 C ATOM 674 C ASP A 552 -6.268 -2.479 2.773 1.00 0.00 C ATOM 675 O ASP A 552 -6.444 -3.671 2.532 1.00 0.00 O ATOM 676 CB ASP A 552 -3.898 -2.938 3.413 1.00 0.00 C ATOM 677 CG ASP A 552 -4.233 -3.296 4.848 1.00 0.00 C ATOM 678 OD1 ASP A 552 -5.023 -4.241 5.054 1.00 0.00 O ATOM 679 OD2 ASP A 552 -3.706 -2.632 5.765 1.00 0.00 O ATOM 0 H ASP A 552 -4.688 -0.834 4.623 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.553 -1.652 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -3.926 -3.839 2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -2.880 -2.552 3.366 1.00 0.00 H new ATOM 684 N GLY A 553 -7.264 -1.633 3.005 1.00 0.00 N ATOM 685 CA GLY A 553 -8.643 -2.085 2.989 1.00 0.00 C ATOM 686 C GLY A 553 -9.352 -1.761 4.287 1.00 0.00 C ATOM 687 O GLY A 553 -10.566 -1.559 4.310 1.00 0.00 O ATOM 0 H GLY A 553 -7.142 -0.640 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -9.171 -1.615 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.672 -3.161 2.817 1.00 0.00 H new ATOM 691 N LEU A 554 -8.580 -1.689 5.368 1.00 0.00 N ATOM 692 CA LEU A 554 -9.121 -1.361 6.680 1.00 0.00 C ATOM 693 C LEU A 554 -9.777 0.008 6.638 1.00 0.00 C ATOM 694 O LEU A 554 -10.938 0.178 7.012 1.00 0.00 O ATOM 695 CB LEU A 554 -8.001 -1.349 7.717 1.00 0.00 C ATOM 696 CG LEU A 554 -7.059 -2.557 7.672 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.607 -2.104 7.706 1.00 0.00 C ATOM 698 CD2 LEU A 554 -7.351 -3.505 8.825 1.00 0.00 C ATOM 0 H LEU A 554 -7.574 -1.855 5.359 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.861 -2.113 6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.411 -0.443 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.447 -1.293 8.710 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.230 -3.091 6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -4.953 -2.975 7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.405 -1.466 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.422 -1.545 8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -6.672 -4.357 8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -7.210 -2.982 9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.380 -3.857 8.755 1.00 0.00 H new ATOM 710 N ILE A 555 -9.007 0.977 6.172 1.00 0.00 N ATOM 711 CA ILE A 555 -9.461 2.347 6.054 1.00 0.00 C ATOM 712 C ILE A 555 -10.329 2.514 4.809 1.00 0.00 C ATOM 713 O ILE A 555 -9.997 3.265 3.892 1.00 0.00 O ATOM 714 CB ILE A 555 -8.244 3.288 5.990 1.00 0.00 C ATOM 715 CG1 ILE A 555 -7.427 3.211 7.289 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.659 4.722 5.701 1.00 0.00 C ATOM 717 CD1 ILE A 555 -8.243 2.873 8.521 1.00 0.00 C ATOM 0 H ILE A 555 -8.045 0.832 5.864 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.063 2.601 6.926 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.615 2.954 5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.645 2.461 7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.929 4.168 7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.773 5.356 5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.177 4.765 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.324 5.074 6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -7.589 2.839 9.392 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -9.008 3.635 8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.719 1.902 8.387 1.00 0.00 H new ATOM 729 N CYS A 556 -11.442 1.795 4.795 1.00 0.00 N ATOM 730 CA CYS A 556 -12.381 1.834 3.678 1.00 0.00 C ATOM 731 C CYS A 556 -12.804 3.265 3.354 1.00 0.00 C ATOM 732 O CYS A 556 -13.241 3.553 2.240 1.00 0.00 O ATOM 733 CB CYS A 556 -13.615 0.986 4.000 1.00 0.00 C ATOM 734 SG CYS A 556 -14.086 -0.177 2.679 1.00 0.00 S ATOM 0 H CYS A 556 -11.721 1.171 5.552 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.877 1.425 2.802 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.427 0.423 4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.456 1.650 4.201 1.00 0.00 H new ATOM 739 N GLY A 557 -12.675 4.159 4.333 1.00 0.00 N ATOM 740 CA GLY A 557 -13.052 5.547 4.129 1.00 0.00 C ATOM 741 C GLY A 557 -12.416 6.159 2.893 1.00 0.00 C ATOM 742 O GLY A 557 -12.922 7.143 2.352 1.00 0.00 O ATOM 0 H GLY A 557 -12.316 3.946 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.137 5.614 4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.764 6.128 5.005 1.00 0.00 H new ATOM 746 N LEU A 558 -11.306 5.580 2.446 1.00 0.00 N ATOM 747 CA LEU A 558 -10.599 6.077 1.269 1.00 0.00 C ATOM 748 C LEU A 558 -11.530 6.187 0.065 1.00 0.00 C ATOM 749 O LEU A 558 -11.495 7.171 -0.674 1.00 0.00 O ATOM 750 CB LEU A 558 -9.424 5.156 0.932 1.00 0.00 C ATOM 751 CG LEU A 558 -9.783 3.676 0.793 1.00 0.00 C ATOM 752 CD1 LEU A 558 -10.232 3.363 -0.627 1.00 0.00 C ATOM 753 CD2 LEU A 558 -8.601 2.802 1.187 1.00 0.00 C ATOM 0 H LEU A 558 -10.875 4.764 2.882 1.00 0.00 H new ATOM 0 HA LEU A 558 -10.225 7.074 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -8.973 5.494 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -8.666 5.259 1.709 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.611 3.459 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -10.483 2.305 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -11.109 3.963 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.427 3.597 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -8.874 1.752 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -7.753 3.023 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.328 3.004 2.223 1.00 0.00 H new ATOM 765 N ARG A 559 -12.357 5.166 -0.130 1.00 0.00 N ATOM 766 CA ARG A 559 -13.296 5.138 -1.249 1.00 0.00 C ATOM 767 C ARG A 559 -12.566 5.313 -2.578 1.00 0.00 C ATOM 768 O ARG A 559 -11.340 5.420 -2.615 1.00 0.00 O ATOM 769 CB ARG A 559 -14.353 6.232 -1.090 1.00 0.00 C ATOM 770 CG ARG A 559 -15.527 5.820 -0.217 1.00 0.00 C ATOM 771 CD ARG A 559 -15.147 5.801 1.253 1.00 0.00 C ATOM 772 NE ARG A 559 -16.113 5.050 2.055 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.586 5.457 3.234 1.00 0.00 C ATOM 774 NH1 ARG A 559 -16.182 6.605 3.767 1.00 0.00 N ATOM 775 NH2 ARG A 559 -17.467 4.710 3.885 1.00 0.00 N ATOM 0 H ARG A 559 -12.397 4.344 0.473 1.00 0.00 H new ATOM 0 HA ARG A 559 -13.788 4.166 -1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -13.885 7.118 -0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -14.725 6.513 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -16.356 6.511 -0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -15.876 4.832 -0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -14.158 5.358 1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -15.083 6.824 1.625 1.00 0.00 H new ATOM 0 HE ARG A 559 -16.446 4.158 1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -15.503 7.185 3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -16.551 6.906 4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -17.782 3.826 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -17.830 5.019 4.787 1.00 0.00 H new ATOM 789 N GLN A 560 -13.327 5.342 -3.667 1.00 0.00 N ATOM 790 CA GLN A 560 -12.753 5.504 -4.997 1.00 0.00 C ATOM 791 C GLN A 560 -11.807 4.354 -5.325 1.00 0.00 C ATOM 792 O GLN A 560 -12.194 3.480 -6.128 1.00 0.00 O ATOM 793 CB GLN A 560 -12.008 6.836 -5.096 1.00 0.00 C ATOM 794 CG GLN A 560 -12.906 8.050 -4.920 1.00 0.00 C ATOM 795 CD GLN A 560 -12.470 8.939 -3.771 1.00 0.00 C ATOM 796 OE1 GLN A 560 -13.185 8.855 -2.655 1.00 0.00 O flip ATOM 797 NE2 GLN A 560 -11.502 9.690 -3.885 1.00 0.00 N flip ATOM 798 OXT GLN A 560 -10.685 4.336 -4.775 1.00 0.00 O ATOM 0 H GLN A 560 -14.343 5.255 -3.654 1.00 0.00 H new ATOM 0 HA GLN A 560 -13.569 5.498 -5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -11.224 6.861 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -11.516 6.896 -6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -12.910 8.631 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.930 7.718 -4.749 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -10.982 9.722 -4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -11.220 10.281 -3.103 1.00 0.00 H new TER 807 GLN A 560